相关论文: Multiscale modeling strategy to solve fullerene fo…
Many models in natural and social sciences are comprised of sets of inter-acting entities whose intensity of interaction decreases with distance. This often leads to structures of interest in these models composed of dense packs of…
A variety of phenomena connected with the formation of a dinuclear complex is observed in the heavy ion collisions at low energies. The dinuclear system model allows us to analyze the experimental data and to interpret them by comparison of…
We survey the current situation regarding chemical modelling of the synthesis of molecules in the interstellar medium. The present state of knowledge concerning the rate coefficients and their uncertainties for the major gas-phase processes…
When dense granular gases are continuously excited under microgravity conditions, spatial inhomogeneities of the particle number density can emerge. A significant share of particles may collect in strongly overpopulated regions, called…
In this study, a new alternative model algorithm has been proposed for assembling amorphous structures, unifying the bosonic paradigm applicable at low temperatures with crystalline models relevant at room and higher temperatures. Physical…
$\alpha$-decay always has enormous impetuses to the development of physics and chemistry, in particular due to its indispensable role in the research of new elements. Although it has been observed in laboratories for more than a century, it…
We present the results of classical molecular dynamics simulations of collision-induced fusion and fragmentation of C$_{60}$ fullerenes, performed by means of the MBN Explorer software package. The simulations provide information on…
The inelasticity in nucleus-nucleus collisions at high energies is calculated in the framework of geometrical multichain model. The very fast increase of the inelasticity is found as a result of a second-stage cascading process. The same…
There is accumulating evidence for the presence of complex molecules, including carbon-bearing and organic molecules, in the interstellar medium. Much of this evidence comes to us from studies of chemical composition, photo- and…
Modelling MEMS involves a variety of software tools that deal with the analysis of complex geometrical structures and the assessment of various interactions among different energy domains and components. Moreover, the MEMS market is growing…
We propose a model describing the interatomic interaction at the interface between fullerene $\mathrm{C}_{60}$ and aluminum. Using the density functional theory, we calculate the binding energy and the fullerene's position on the…
Polymer-derived ceramics combine the thermal stability of ceramics with the versatile properties of carbon domains, but modeling their atomic-scale evolution during processing remains elusive due to the limitations of traditional…
Tight binding molecular dynamics simulations, with a non orthogonal basis set, are performed to study the fragmentation of carbon fullerenes doped with up to six silicon atoms. Both substitutional and adsorbed cases are considered. The…
The interstellar medium is characterised by an intricate filamentary network which exhibits complex structures. These show a variety of different shapes (e.g. junctions, rings, etc.) deviating strongly from the usually assumed cylindrical…
The reaction mechanisms best suited for the production of neutron-rich nuclei, fragmentation and fission, are discussed. Measurements of the production cross sections of reaction residues together with model calculations allow to conclude…
Modeling potential alloys requires the exploration of all possible configurations of atoms. Additionally, modeling the thermal properties of materials requires knowledge of the possible ways of displacing the atoms. One solution to finding…
There are many atomistic simulation methods with very different costs, accuracies, transferabilities, and numbers of empirical parameters. I show how statistical model selection can compare these methods fairly, even when they are very…
Ordinary differential equation models have become a standard tool for the mechanistic description of biochemical processes. If parameters are inferred from experimental data, such mechanistic models can provide accurate predictions about…
Newly observed enhanced linear optical features of fullerene solutions (Raman scattering and one-photon luminescence) are due to clusterization of fullerene molecules themselves as well as their composites with solvent molecules. A direct…
With the well-established correlation between the relative stabilities of isomers and their interstellar abundances coupled with the prevalence of isomeric species among the interstellar molecular species, isomerization remains a plausible…